Functionalized Boranes for Hydrogen StoragePATHAK, Biswarup; PRADHAN, Kalpataru; HUSSAIN, Tanveer et al.ChemPhysChem (Print). 2012, Vol 13, Num 1, pp 300-304, issn 1439-4235, 5 p.Article

Possible binding sites for biotin stabilized water soluble Ag nanoparticles : An experimental and theoretical studyHEGDE, Shweta; KAPOOR, Sudhir; NAUMOV, Sergej et al.Journal of nanoscience and nanotechnology (Print). 2006, Vol 6, Num 8, pp 2547-2553, issn 1533-4880, 7 p.Article

Ag-Cu alloy surfaces in an oxidizing environment: A first-principles studyPICCININ, Simone; STAMPFL, Catherine; SCHEFFLER, Matthias et al.Surface science. 2009, Vol 603, Num 10-12, pp 1467-1475, issn 0039-6028, 9 p.Article

Molecular level investigation of 2,2,6,6-tetramethyl-3,5-heptanedione on Si(100)-2 x 1 : Spectroscopic and computational studiesPERRINE, Kathryn A; SKLIAR, Dimitri B; WILLIS, Brian G et al.Surface science. 2008, Vol 602, Num 13, pp 2222-2231, issn 0039-6028, 10 p.Article

The kaolinite (0 0 1) polar basal planeXIAO LIANG HU; MICHAELIDES, Angelos.Surface science. 2010, Vol 604, Num 2, pp 111-117, issn 0039-6028, 7 p.Article

A comparative study of ethylene oxide and diethylene dioxide adsorption on silicon (001)FERRAZ, A. C; MIOTTO, R.Surface science. 2007, Vol 601, Num 13, pp 2576-2579, issn 0039-6028, 4 p.Conference Paper

Theoretical study of SO₂ adsorption on goethite (110) surfaceZUBIET, Carolina E; FORTUNATO, Leandro F; BELELLI, Patricia G et al.Applied surface science. 2014, Vol 314, pp 558-563, issn 0169-4332, 6 p.Article

Carotenoids as a Shortcut for Chlorophyll Soret-to-Q Band Energy FlowGÖTZE, Jan P; KRÖNER, Dominik; BANERJEE, Shiladitya et al.ChemPhysChem (Print). 2014, Vol 15, Num 15, pp 3392-3401, issn 1439-4235, 10 p.Article

Mounting a hydrogenase analog on calixarenes : designing a nature-inspired solid state catalyst for fuel cells by density functional theorySY DY, Eben; KASAI, Hideaki; REDSHAW, Carl et al.Surface and interface analysis. 2008, Vol 40, Num 6-7, pp 1092-1097, issn 0142-2421, 6 p.Conference Paper

Theoretical Study on the Rectifying Performance of Organoimido Derivatives of HexamolybdatesSHIZHENG WEN; GUOCHUN YANG; LIKAI YAN et al.ChemPhysChem (Print). 2013, Vol 14, Num 3, pp 610-617, issn 1439-4235, 8 p.Article

Adsorption and diffusion property of a hydrogen atom on a Pd₃Ag(111) surfaceOZAWA, N; ARBOLEDA, N. B; NAKANISHI, H et al.Surface and interface analysis. 2008, Vol 40, Num 6-7, pp 1108-1112, issn 0142-2421, 5 p.Conference Paper

Pseudorotation of natural and chemically modified biological phosphoranes: Implications for RNA catalysisSILVA LOPEZ, Carlos; NIETO FAZA, Olalla; GREGERSEN, Brent A et al.ChemPhysChem (Print). 2004, Vol 5, Num 7, pp 1045-1049, issn 1439-4235, 5 p.Article

A van der Waals density functional study of the adsorption of ethanol on the α-alumina (0001) surfaceJOHNSTON, Karen.Surface science. 2014, Vol 621, pp 16-22, issn 0039-6028, 7 p.Article

Strain-Free [N]Ferrocenylenes and Cyclo[10]ferrocenyleneWU, Hai-Shun; CAIHONG GUO; JIANFENG JIA et al.ChemPhysChem (Print). 2013, Vol 14, Num 17, pp 3902-3905, issn 1439-4235, 4 p.Article

A Computational Study on 3-Azonia-, 3-Phosphonia-, and 3-Arsoniaspiro[2.2]pentanes and Related Three-Membered HeterocyclesTRUJILLO, Cristina; SANCHEZ-SANZ, Goar; ALKORTA, Ibon et al.ChemPhysChem (Print). 2014, Vol 15, Num 16, pp 3493-3501, issn 1439-4235, 9 p.Article

Boron-Double-Ring Sheet, Fullerene, and Nanotubes: Potential Hydrogen Storage MaterialsJING WANG; ZHAO, Hui-Yan; YING LIU et al.ChemPhysChem (Print). 2014, Vol 15, Num 16, pp 3453-3459, issn 1439-4235, 7 p.Article

Investigating energetics of Au₈ on graphene/Ru(0001) using a genetic algorithm and density functional theoryTENG, Dieh; VILHELMSEN, Lasse B; SHOLL, David S et al.Surface science. 2014, Vol 628, pp 98-103, issn 0039-6028, 6 p.Article

Imidazole ligand effect on O₂ interaction with metalloporphyrinsTSUDA, Muneyuki; KASAI, Hideaki.Surface science. 2007, Vol 601, Num 22, pp 5200-5206, issn 0039-6028, 7 p.Conference Paper

Oxygen assisted H₂O dissociation on the Pt{110}(1 × 2) surface from first principlesRANEA, Victor A; MOLA, Eduardo E.Surface science. 2014, Vol 627, pp 42-48, issn 0039-6028, 7 p.Article

The adsorption and dissociation of CO on Fe(111)BOOYENS, Sharon; BOWKER, Michael; WILLOCK, David J et al.Surface science. 2014, Vol 625, pp 69-83, issn 0039-6028, 15 p.Article

Calculating anharmonic vibrational frequencies of molecules adsorbed on surfaces directly from ab initio energies with a molecule-independent method: H₂O on Pt(111)MANZHOS, Sergei; CARRINGTON, Tucker; YAMASHITA, Koichi et al.Surface science. 2011, Vol 605, Num 5-6, pp 616-622, issn 0039-6028, 7 p.Article

Adsorption of Si on Ag(0 0 1) from ab initio studyHE, Guo-Min.Surface science. 2009, Vol 603, Num 13, pp 2021-2029, issn 0039-6028, 9 p.Article

Surface atomic distribution and water adsorption on Pt-Co alloysHIRUNSIT, Pussana; BALBUENA, Perla B.Surface science. 2009, Vol 603, Num 6, pp 912-920, issn 0039-6028, 9 p.Article

Theory of quasicrystal surfaces : Probing the chemical reactivity by atomic and molecular adsorptionKRAJCI, M; HAFNER, J.Surface science. 2008, Vol 602, Num 1, pp 182-197, issn 0039-6028, 16 p.Article

Interaction of acetone with the Si(001) surfaceSARAIREH, S. A; SMITH, P. V; RADNY, M. W et al.Surface science. 2008, Vol 602, Num 22, pp 3484-3498, issn 0039-6028, 15 p.Article